REMARK Name = BDB029605 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.892 0.309 -0.614 0.00 0.00 +0.028 A ATOM 2 C LIG 1 1.637 0.415 -1.238 0.00 0.00 +0.039 A ATOM 3 C LIG 1 0.930 -0.686 -1.790 0.00 0.00 +0.080 A ATOM 4 C LIG 1 -0.380 -0.310 -2.411 0.00 0.00 +0.250 C ATOM 5 N LIG 1 -1.402 -1.231 -2.614 0.00 0.00 -0.292 N ATOM 6 C LIG 1 -1.283 -2.637 -2.261 0.00 0.00 +0.149 C ATOM 7 C LIG 1 -0.072 -3.235 -2.948 0.00 0.00 +0.248 C ATOM 8 O LIG 1 1.075 -3.166 -2.119 0.00 0.00 -0.490 OA ATOM 9 O LIG 1 -0.567 0.873 -2.714 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 1.514 -1.950 -1.689 0.00 0.00 +0.133 A ATOM 11 C LIG 1 2.747 -2.073 -1.029 0.00 0.00 +0.048 A ATOM 12 C LIG 1 3.416 -0.969 -0.493 0.00 0.00 +0.026 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 3.449 1.452 -0.063 0.00 0.00 -0.341 N ATOM 14 H LIG 1 3.087 2.301 -0.495 0.00 0.00 +0.146 HD BRANCH 13 20 ATOM 15 C LIG 1 9.081 0.351 2.988 0.00 0.00 +0.109 C ATOM 16 C LIG 1 8.792 1.084 1.704 0.00 0.00 +0.212 C ATOM 17 N LIG 1 7.509 0.982 1.180 0.00 0.00 -0.302 N ATOM 18 C LIG 1 6.435 0.167 1.744 0.00 0.00 +0.109 C ATOM 19 C LIG 1 5.097 0.902 1.738 0.00 0.00 +0.041 C ATOM 20 C LIG 1 4.826 1.626 0.413 0.00 0.00 +0.073 C ATOM 21 C LIG 1 5.872 1.360 -0.667 0.00 0.00 +0.041 C ATOM 22 C LIG 1 7.264 1.628 -0.108 0.00 0.00 +0.109 C ATOM 23 O LIG 1 9.673 1.749 1.157 0.00 0.00 -0.276 OA ENDBRANCH 13 20 ENDBRANCH 1 13 BRANCH 5 24 ATOM 24 C LIG 1 -2.692 -0.752 -3.137 0.00 0.00 +0.140 C BRANCH 24 25 ATOM 25 C LIG 1 -3.611 -0.078 -2.086 0.00 0.00 +0.146 C BRANCH 25 26 ATOM 26 O LIG 1 -3.014 1.106 -1.544 0.00 0.00 -0.389 OA ATOM 27 H LIG 1 -2.177 1.279 -2.028 0.00 0.00 +0.210 HD ENDBRANCH 25 26 BRANCH 25 28 ATOM 28 C LIG 1 -3.989 -1.056 -0.946 0.00 0.00 +0.117 C BRANCH 28 29 ATOM 29 N LIG 1 -5.135 -0.733 -0.077 0.00 0.00 -0.295 NA ATOM 30 C LIG 1 -4.938 0.509 0.690 0.00 0.00 +0.120 C ATOM 31 C LIG 1 -6.105 0.815 1.611 0.00 0.00 -0.030 A ATOM 32 C LIG 1 -7.383 0.285 1.352 0.00 0.00 -0.042 A ATOM 33 C LIG 1 -8.455 0.612 2.193 0.00 0.00 +0.004 A ATOM 34 C LIG 1 -8.267 1.480 3.268 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -7.007 2.023 3.515 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -7.579 -0.684 0.213 0.00 0.00 +0.051 C ATOM 37 C LIG 1 -5.932 1.695 2.689 0.00 0.00 +0.005 A ATOM 38 C LIG 1 -6.415 -0.673 -0.790 0.00 0.00 +0.089 C ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 24 25 ENDBRANCH 5 24 TORSDOF 7